[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate

C30H38O14 — CID 58520409

IUPAC[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate
SMILESC=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)CCC(C)=O)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C30H38O14/c1-7-23(32)39-16-29(17-40-24(33)8-2,18-41-25(34)9-3)14-38-15-30(19-42-26(35)10-4,20-43-27(36)11-5)21-44-28(37)13-12-22(6)31/h7-11H,1-5,12-21H2,6H3
InChIKeyGMJTXKXRKZRMOP-UHFFFAOYSA-N
MW622.62 g/mol
LogP1.53
Rot. Bonds24

About [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate

[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate (PubChem CID 58520409) has the molecular formula C30H38O14 and a molecular weight of 622.62 g/mol. Its IUPAC name is [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate.

Molecular Properties

Compound Name[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate
PubChem CID58520409
Molecular FormulaC30H38O14
Molecular Weight622.62 g/mol
Exact Mass622.23
IUPAC Name[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate
SMILESC=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)CCC(C)=O)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C30H38O14/c1-7-23(32)39-16-29(17-40-24(33)8-2,18-41-25(34)9-3)14-38-15-30(19-42-26(35)10-4,20-43-27(36)11-5)21-44-28(37)13-12-22(6)31/h7-11H,1-5,12-21H2,6H3
InChIKeyGMJTXKXRKZRMOP-UHFFFAOYSA-N
XLogP1.53
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate?
The IUPAC name of [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate (CID 58520409) is [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate.
What is the SMILES notation for [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate?
The canonical SMILES for [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate is C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)CCC(C)=O)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate?
The InChIKey is GMJTXKXRKZRMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O14/c1-7-23(32)39-16-29(17-40-24(33)8-2,18-41-25(34)9-3)14-38-15-30(19-42-26(35)10-4,20-43-27(36)11-5)21-44-28(37)13-12-22(6)31/h7-11H,1-5,12-21H2,6H3.
What are the key properties of [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate?
[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate has a molecular weight of 622.62 g/mol, XLogP of 1.53, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 4-oxopentanoate is sourced from PubChem (CID 58520409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).